(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

C28H32N2O — CID 92996089

IUPAC(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
SMILESCc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(Cc3ccccc3)C2)c1
InChIInChI=1S/C28H32N2O/c1-21-10-9-15-25(16-21)26-17-27(20-30(19-26)18-23-11-5-3-6-12-23)28(31)29-22(2)24-13-7-4-8-14-24/h3-16,22,26-27H,17-20H2,1-2H3,(H,29,31)/t22-,26+,27+/m0/s1
InChIKeyXCHJUJCJWWCKQH-ZDJNHPEVSA-N
MW412.58 g/mol
LogP5.48
Rot. Bonds6

About (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide (PubChem CID 92996089) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
PubChem CID92996089
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
SMILESCc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(Cc3ccccc3)C2)c1
InChIInChI=1S/C28H32N2O/c1-21-10-9-15-25(16-21)26-17-27(20-30(19-26)18-23-11-5-3-6-12-23)28(31)29-22(2)24-13-7-4-8-14-24/h3-16,22,26-27H,17-20H2,1-2H3,(H,29,31)/t22-,26+,27+/m0/s1
InChIKeyXCHJUJCJWWCKQH-ZDJNHPEVSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42866536
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46065513
1-benzyl-N-(furan-2-ylmethyl)-N-methyl-5-(3-methylphenyl)piperidine-3-carboxamide
CID 46069465
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
(3S,5R)-1-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996098
(3S,5R)-N-ethyl-1-[(2-fluorophenyl)methyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996062
1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 46065202
1-[(3S,5R)-3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 92995292

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide (CID 92996089) is (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide is Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(Cc3ccccc3)C2)c1.
What is the InChIKey of (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
The InChIKey is XCHJUJCJWWCKQH-ZDJNHPEVSA-N. The full InChI is InChI=1S/C28H32N2O/c1-21-10-9-15-25(16-21)26-17-27(20-30(19-26)18-23-11-5-3-6-12-23)28(31)29-22(2)24-13-7-4-8-14-24/h3-16,22,26-27H,17-20H2,1-2H3,(H,29,31)/t22-,26+,27+/m0/s1.
What are the key properties of (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide?
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 92996089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).